CAS 5976-47-6|2-Chloro-2-propen-1-ol

Introduction：Basic information about CAS 5976-47-6|2-Chloro-2-propen-1-ol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
4. Safety Information
5. Articles5
6. Synonyms

Common Name	2-Chloro-2-propen-1-ol
CAS Number	5976-47-6	Molecular Weight	92.52420
Density	1.162 g/mL at 25ºC(lit.)	Boiling Point	133-134ºC(lit.)
Molecular Formula	C₃H₅ClO	Melting Point	/
MSDS	USA	Flash Point	130 °F
Symbol	GHS02, GHS07	Signal Word	Warning

Names

Name	2-chloroprop-2-en-1-ol
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.162 g/mL at 25ºC(lit.)
Boiling Point	133-134ºC(lit.)
Molecular Formula	C₃H₅ClO
Molecular Weight	92.52420
Flash Point	130 °F
Exact Mass	92.00290
PSA	20.23000
LogP	0.73120
Index of Refraction	n20/D 1.459(lit.)
InChIKey	OSCXYTRISGREIM-UHFFFAOYSA-N
SMILES	C=C(Cl)CO

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UD4725000

CHEMICAL NAME :: 2-Propen-1-ol, 2-chloro-

CAS REGISTRY NUMBER :: 5976-47-6

BEILSTEIN REFERENCE NO. :: 1361492

LAST UPDATED :: 199712

DATA ITEMS CITED :: 8

MOLECULAR FORMULA :: C3-H5-Cl-O

MOLECULAR WEIGHT :: 92.53

WISWESSER LINE NOTATION :: Q1YGU1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 63 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 198 ppm/6H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 56 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 25 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

DOSE/DURATION :: 1 nmol/plate

REFERENCE :: JAFCAU Journal of Agricultural and Food Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1953- Volume(issue)/page/year: 28,880,1980

Safety Information

Symbol	GHS02, GHS07
Signal Word	Warning
Hazard Statements	H226-H302-H312-H332
Precautionary Statements	P280
Personal Protective Equipment	Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	Xn,Xi
Risk Phrases	10-20/21/22
Safety Phrases	S16;S26;S27;S36/S37/S39
RIDADR	UN 2920 8/PG 2
WGK Germany	3
RTECS	UD4725000
Packaging Group	III
Hazard Class	3.2

Articles5

Kinetic studies of the homogeneous abiotic reactions of several chlorinated aliphatic compounds in aqueous solution.Pagan M, et al.

Appl. Geochem. 13(6) , 779-85, (1998)

Derivatives of phosphorus acids and 2-chloro-2-propen-1-ol.Arbuzov BA, et al.

Russ. Chem. Bull. 16(6) , 1233-38, (1967)

Asymmetric synthesis of conformationally constrained fingolimod analogues--discovery of an orally active sphingosine 1-phosphate receptor type-1 agonist and receptor type-3 antagonist.

J. Med. Chem. 50(25) , 6428-35, (2007)

Compound 1 (FTY720, Fingolimod) represents a new generation of immunosuppressant that modulates lymphocyte trafficking by interacting with the S1P(1) receptor. Compound 1 also provides a template mole...

Synonyms

2-Propen-1-ol,2-chloro

2-Chloroallyl alcohol

2-chloro-2-propene-1-ol

2-Chloropropenol

2-chloroprop-1-en-3-ol

2-Chloro-2-propen-1-ol

MFCD00004701

2-chloro-1-propen-3-ol

2-Chloroprop-2-enol

2-Chloro-2-propenol

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